Vitas-M small molecule compound
3-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
Catalog ID
STK516679
SMILES O=C(c1oc2c(c1C)cccc2)Nc1nnc(s1)SC/C=C/c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H17N3O2S2 MW 407.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S2/c1-14-16-11-5-6-12-17(16)26-18(14)19(25)22-20-23-24-21(28-20)27-13-7-10-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,22,23,25)/b10-7+InChIKey
XTAHAOMEVCTAMJ-JXMROGBWSA-NSynonyms
3methylN(5(((2E)3phenylprop2en1yl)sulfanyl)134thiadiazol2yl)1benzofuran2carboxamide
3METHYLN(5((E)3PHENYLPROP2ENYL)SULFANYL134THIADIAZOL2YL)1BENZOFURAN2CARBOXAMIDE
CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4
InChI=1SC21H17N3O2S2c1141611561217(16)2618(14)19(25)2220232421(2820)2713710158324915h212H13H21H3(H222325)b107+
MFCD06003058
O=C(c1oc2c(c1C)cccc2)Nc1nnc(s1)SCC=Cc1ccccc1
ZINC000003105003
ZINC03105003
ZINC3105003
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